Chemical ID: 7382714

Cc1ccc(c(c1C)O)c2cc([nH]n2)C(=O)NCc3ccncc3
Chemical ID:
7382714
Name [?]:
5-(2-hydroxy-3,4-dimethyl-phenyl)-N-(4-pyridylmethyl)-2H-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1C)O)c2cc([nH]n2)C(=O)NCc3ccncc3
InChi [?]:
InChI=1/C18H18N4O2/c1-11-3-4-14(17(23)12(11)2)15-9-16(22-21-15)18(24)20-10-13-5-7-19-8-6-13/h3-9,23H,10H2,1-2H3,(H,20,24)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,20,24,21,23,11,18,2,7,19,5,10,12,6,15,22,17,14,13,9,16/E:(5,6)(7,8)/rA:24nCCCCCCCCOCCCNNCONCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;s10;d11;s12;d10s13;s12;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N4O2
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.32997
Area:543.943
Solvation:-4.2686
Coulombic:-52.0142
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:322.361
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.78
LogP (Chemaxon):2.23

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